Sodium in PDB 9c0e: Phosphorylated Human NKCC1_K289NA492E in Complex with Furosemide

The structure of Phosphorylated Human NKCC1_K289NA492E in Complex with Furosemide also contains other interesting chemical elements:

Potassium	(K)	2 atoms
Chlorine	(Cl)	4 atoms
Magnesium	(Mg)	2 atoms

The binding sites of Sodium atom in the Phosphorylated Human NKCC1_K289NA492E in Complex with Furosemide (pdb code 9c0e). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Phosphorylated Human NKCC1_K289NA492E in Complex with Furosemide, PDB code: 9c0e:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Phosphorylated Human NKCC1_K289NA492E in Complex with Furosemide


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Phosphorylated Human NKCC1_K289NA492E in Complex with Furosemide within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1305 b:72.4 occ:1.00 O A:TRP300 1.8 41.2 1.0 O A:LEU297 2.2 45.6 1.0 OG A:SER614 2.3 50.8 1.0 O A:ALA610 2.4 55.0 1.0 OG A:SER613 2.6 47.4 1.0 C A:TRP300 3.0 41.3 1.0 CB A:SER614 3.1 40.8 1.0 N A:SER614 3.1 43.5 1.0 C A:ALA610 3.4 44.0 1.0 C A:LEU297 3.4 31.9 1.0 CA A:SER614 3.5 40.3 1.0 CA A:ALA610 3.8 31.6 1.0 N A:GLY301 3.9 46.1 1.0 CA A:GLY301 3.9 47.3 1.0 CB A:SER613 3.9 34.2 1.0 C A:SER613 4.0 44.6 1.0 CA A:TRP300 4.0 36.9 1.0 CA A:LEU297 4.2 31.2 1.0 CB A:TRP300 4.3 31.0 1.0 N A:TRP300 4.3 41.6 1.0 CB A:ALA610 4.3 29.2 1.0 O A:ASN298 4.3 35.2 1.0 N A:ASN298 4.4 31.0 1.0 CA A:SER613 4.5 35.6 1.0 C A:ASN298 4.5 30.2 1.0 N A:THR611 4.5 41.0 1.0 CA A:ASN298 4.5 31.8 1.0 CB A:LEU297 4.8 39.7 1.0 N A:SER613 4.8 37.1 1.0 O A:SER613 4.9 44.4 1.0 CA A:THR611 4.9 41.0 1.0 O A:SER609 4.9 42.6 1.0 C A:SER614 5.0 41.3 1.0

Sodium binding site 2 out of 2 in the Phosphorylated Human NKCC1_K289NA492E in Complex with Furosemide


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Phosphorylated Human NKCC1_K289NA492E in Complex with Furosemide within 5.0Å range: probe atom residue distance (Å) B Occ B:Na1305 b:76.2 occ:1.00 O B:TRP300 2.1 41.7 1.0 O B:ALA610 2.1 53.8 1.0 OG B:SER614 2.2 47.5 1.0 O B:LEU297 2.4 41.7 1.0 OG B:SER613 2.5 44.0 1.0 N B:SER614 3.0 40.8 1.0 C B:ALA610 3.1 44.3 1.0 CB B:SER614 3.2 39.8 1.0 C B:TRP300 3.3 41.4 1.0 CA B:SER614 3.5 38.5 1.0 CA B:ALA610 3.5 31.5 1.0 C B:LEU297 3.5 30.0 1.0 CB B:SER613 3.8 31.4 1.0 C B:SER613 3.8 43.5 1.0 CA B:GLY301 4.1 48.8 1.0 CB B:ALA610 4.1 29.3 1.0 N B:GLY301 4.1 48.4 1.0 CA B:SER613 4.2 33.6 1.0 N B:THR611 4.3 41.9 1.0 CA B:LEU297 4.3 29.9 1.0 CA B:TRP300 4.3 37.7 1.0 N B:SER613 4.5 35.2 1.0 CB B:TRP300 4.5 28.5 1.0 N B:ASN298 4.6 30.9 1.0 O B:SER609 4.6 39.7 1.0 O B:ASN298 4.6 35.1 1.0 N B:TRP300 4.6 40.5 1.0 CA B:ASN298 4.7 31.8 1.0 CA B:THR611 4.7 41.3 1.0 O B:SER613 4.7 45.5 1.0 C B:ASN298 4.7 29.5 1.0 CB B:LEU297 4.8 39.5 1.0 N B:ALA610 4.8 39.8 1.0 C B:THR611 4.8 38.4 1.0 O B:THR611 4.9 41.0 1.0 C B:SER614 4.9 39.5 1.0 CD1 B:LEU442 5.0 43.5 1.0 CD2 B:LEU297 5.0 34.1 1.0

Y.Zhao, P.Vidossich, B.Forbush, J.Ma, J.Rinehart, M.De Vivo, E.Cao. Structural Basis For Human NKCC1 Inhibition By Loop Diuretic Drugs Embo J. 2025.
ISSN: ESSN 1460-2075
DOI: 10.1038/S44318-025-00368-6